2,2,3-trimethylnonan-3-ol

C12H26O — CID 12573334

IUPAC2,2,3-trimethylnonan-3-ol
SMILESCCCCCCC(C)(O)C(C)(C)C
InChIInChI=1S/C12H26O/c1-6-7-8-9-10-12(5,13)11(2,3)4/h13H,6-10H2,1-5H3
InChIKeyTYIJKLDPFVSATC-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds5

About 2,2,3-trimethylnonan-3-ol

2,2,3-trimethylnonan-3-ol (PubChem CID 12573334) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2,3-trimethylnonan-3-ol.

Molecular Properties

Compound Name2,2,3-trimethylnonan-3-ol
PubChem CID12573334
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,2,3-trimethylnonan-3-ol
SMILESCCCCCCC(C)(O)C(C)(C)C
InChIInChI=1S/C12H26O/c1-6-7-8-9-10-12(5,13)11(2,3)4/h13H,6-10H2,1-5H3
InChIKeyTYIJKLDPFVSATC-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methylcycloheptan-1-ol
CID 77376
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
2,7-Dimethyl-2,7-octanediol
CID 140597
2-Nonanol, 2-methyl-
CID 25139
1-Methylcyclooctanol
CID 97178
4-Methylnonan-4-ol
CID 90924
3-Nonanol, 3-methyl-
CID 89428
(6S)-2,6-dimethyloctan-2-ol
CID 445183

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylnonan-3-ol?
The IUPAC name of 2,2,3-trimethylnonan-3-ol (CID 12573334) is 2,2,3-trimethylnonan-3-ol.
What is the SMILES notation for 2,2,3-trimethylnonan-3-ol?
The canonical SMILES for 2,2,3-trimethylnonan-3-ol is CCCCCCC(C)(O)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethylnonan-3-ol?
The InChIKey is TYIJKLDPFVSATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-7-8-9-10-12(5,13)11(2,3)4/h13H,6-10H2,1-5H3.
What are the key properties of 2,2,3-trimethylnonan-3-ol?
2,2,3-trimethylnonan-3-ol has a molecular weight of 186.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylnonan-3-ol is sourced from PubChem (CID 12573334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).